Methanol → 2-(4-{3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperazin-1-yl)-benzonitrile

HRID 160149Notes

Reaction equation

HRID 160149 reaction equation
[C:27](#[N:28])[c:29]1[c:30]([N:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:31][cH:32][cH:33][cH:34]1.[CH3:41][OH:42].[Cl:43][CH2:44][Cl:45].[Cl:46][CH2:47][Cl:48].[O:1]1[CH:2]([CH2:4][n:5]2[n:6][c:7](-[c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[c:8]3[c:13]2[CH2:12][CH2:11][N:10]([C:14]([CH3:15])=[O:16])[CH2:9]3)[CH2:3]1.[OH2:49]>>[OH:1][CH:2]([CH2:3][N:38]1[CH2:37][CH2:36][N:35]([c:30]2[c:29]([C:27]#[N:28])[cH:34][cH:33][cH:32][cH:31]2)[CH2:40][CH2:39]1)[CH2:4][n:5]1[n:6][c:7](-[c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[c:8]2[c:13]1[CH2:12][CH2:11][N:10]([C:14]([CH3:15])=[O:16])[CH2:9]2

Participants

6

Reactant 5

HCID 887MethanolHCID 962WaterHCID 6344Dichloromethane2×HCID 2735875N-(2-Cyanophenyl)piperazineHCID 222938171-[1-Oxiranylmethyl-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone

Product 1

HCID 103028372-(4-{3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperazin-1-yl)-benzonitrile

Sources & evidence

ORD record
ord-31f4e4d48d8b49a8b86507a497e49fc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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